90 lines
2.6 KiB
Fortran
90 lines
2.6 KiB
Fortran
FUNCTION f_lammps_version () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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INTEGER (C_int) :: f_lammps_version
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f_lammps_version = lmp%version()
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END FUNCTION f_lammps_version
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SUBROUTINE f_lammps_memory_usage (meminfo) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL (C_double), DIMENSION(3), INTENT(OUT) :: meminfo
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CALL lmp%memory_usage(meminfo)
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END SUBROUTINE f_lammps_memory_usage
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FUNCTION f_lammps_get_mpi_comm () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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INTEGER (C_int) :: f_lammps_get_mpi_comm
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f_lammps_get_mpi_comm = lmp%get_mpi_comm()
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END FUNCTION f_lammps_get_mpi_comm
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FUNCTION f_lammps_extract_setting (Cstr) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int, C_char
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int) :: f_lammps_extract_setting
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CHARACTER (KIND=C_char, LEN=1), DIMENSION(*), INTENT(IN) :: Cstr
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INTEGER :: strlen, i
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CHARACTER (LEN=:), ALLOCATABLE :: Fstr
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i = 1
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DO WHILE (Cstr(i) /= ACHAR(0))
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i = i + 1
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END DO
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strlen = i
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allocate ( CHARACTER(LEN=strlen) :: Fstr)
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FORALL (i=1:strlen)
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Fstr(i:i) = Cstr(i)
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END FORALL
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f_lammps_extract_setting = lmp%extract_setting(Fstr)
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deallocate (Fstr)
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END FUNCTION f_lammps_extract_setting
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FUNCTION f_lammps_has_error () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER(C_int) :: f_lammps_has_error
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IF ( lmp%has_error() ) THEN
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f_lammps_has_error = 1_C_int
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ELSE
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f_lammps_has_error = 0_C_int
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END IF
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END FUNCTION f_lammps_has_error
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FUNCTION f_lammps_get_last_error_message(errmesg, errlen) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int, C_char, C_ptr, C_F_POINTER
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER(C_int) :: f_lammps_get_last_error_message
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CHARACTER(KIND=c_char), DIMENSION(*) :: errmesg
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INTEGER(C_int), VALUE, INTENT(IN) :: errlen
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CHARACTER(LEN=:), ALLOCATABLE :: buffer
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INTEGER :: status, i
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! copy error message to buffer
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ALLOCATE(CHARACTER(errlen) :: buffer)
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CALL lmp%get_last_error_message(buffer, status)
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f_lammps_get_last_error_message = status
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! and copy to C style string
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DO i=1, errlen
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errmesg(i) = buffer(i:i)
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IF (buffer(i:i) == ACHAR(0)) EXIT
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END DO
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DEALLOCATE(buffer)
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END FUNCTION f_lammps_get_last_error_message
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